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7MDZ
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80S rabbit ribosome stalled with benzamide-CHX
分子名称: 18S rRNA, 28S rRNA, 40S ribosomal protein S21, ...
著者Koga, Y, Hoang, E.M, Park, Y, Keszei, A.F.A, Murray, J, Shao, S, Liau, B.B.
登録日2021-04-06
公開日2021-09-01
最終更新日2021-09-15
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Discovery of C13-Aminobenzoyl Cycloheximide Derivatives that Potently Inhibit Translation Elongation.
J.Am.Chem.Soc., 143, 2021
7M98
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ATAD2 bromodomain complexed with histone H4K5ac (res 1-10) ligand
分子名称: ATPase family AAA domain-containing protein 2, Histone H4
著者Malone, K.L, Phillips, M, Nix, J.C, Glass, K.C.
登録日2021-03-30
公開日2021-09-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Coordination of Di-Acetylated Histone Ligands by the ATAD2 Bromodomain.
Int J Mol Sci, 22, 2021
7MCE
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH 2-{(7P)-7-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-3-yl}propan-2-ol
分子名称: 2-{(7P)-7-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-3-yl}propan-2-ol, Bromodomain-containing protein 4
著者Sheriff, S.
登録日2021-04-02
公開日2021-09-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Development of BET inhibitors as potential treatments for cancer: A new carboline chemotype.
Bioorg.Med.Chem.Lett., 51, 2021
6KZG
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BU of 6kzg by Molmil
14-3-3 protein in Complex with CIC S301 phosphorylated peptide
分子名称: 14-3-3 protein theta, ARG-SER-MET-SER-GLU-THR-GLY-THR
著者Wen, Y, Shao, Y.
登録日2019-09-24
公開日2020-09-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献14-3-3 protein in Complex with CIC S301 phosphorylated peptide
To Be Published
6LIH
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BU of 6lih by Molmil
BRD4 BD1 bound with compound 10
分子名称: (3~{R})-1,3-dimethyl-6-[(4-phenylpyrimidin-2-yl)amino]-4-propan-2-yl-3~{H}-quinoxalin-2-one, Bromodomain-containing protein 4
著者Xiong, B, Cao, D.
登録日2019-12-11
公開日2020-12-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.62030542 Å)
主引用文献BRD4 BD1 bound with compound 10
To Be Published
6LIM
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BU of 6lim by Molmil
BRD4-BD1 bound with compound 40
分子名称: (3~{R})-6-[(4-isoquinolin-4-ylpyrimidin-2-yl)amino]-1,3-dimethyl-4-propan-2-yl-3~{H}-quinoxalin-2-one, Bromodomain-containing protein 4
著者Xiong, B, Cao, D, Li, Y.
登録日2019-12-12
公開日2020-12-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.75909507 Å)
主引用文献BRD4-BD1 bound with compound 40
To Be Published
6LG7
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BU of 6lg7 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with compound BDF-2030
分子名称: 2-azanyl-6-fluoranyl-4-imidazol-1-yl-quinolin-8-ol, Bromodomain-containing protein 4
著者Xu, H, Zuo, Y.
登録日2019-12-04
公開日2020-12-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Lead-Opt: An efficient tool for structural optimization of lead compounds
To Be Published
6LG6
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BU of 6lg6 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with compound BDF-1021
分子名称: Bromodomain-containing protein 4, N-[8-oxidanyl-4-(pyridin-2-ylamino)quinolin-2-yl]ethanamide
著者Xu, H, Zuo, Y.
登録日2019-12-04
公開日2020-12-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Lead-Opt: An efficient tool for structural optimization of lead compounds
To Be Published
6LG5
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BU of 6lg5 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with compound BDF-1038
分子名称: 1-[(5-chloranyl-8-oxidanyl-quinolin-7-yl)methyl]pyrrolidin-2-one, Bromodomain-containing protein 4
著者Xu, H, Zuo, Y, Zhang, H.
登録日2019-12-04
公開日2020-12-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Lead-Opt: An efficient tool for structural optimization of lead compounds
To Be Published
6LH4
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BU of 6lh4 by Molmil
Crystal structural of MacroD1-ADPr complex
分子名称: ADP-ribose glycohydrolase MACROD1, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
著者Yang, X, Ma, Y, Li, Y.
登録日2019-12-06
公開日2020-12-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.999 Å)
主引用文献Molecular basis for the MacroD1-mediated hydrolysis of ADP-ribosylation.
DNA Repair (Amst), 94, 2020
7MHE
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BU of 7mhe by Molmil
Thioesterase Domain of Human Fatty Acid Synthase (FASN-TE) binding a competitive inhibitor SBP-7957
分子名称: 1,2-ETHANEDIOL, 4-{4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]benzene-1-sulfonyl}morpholine, Fatty acid synthase
著者Aleshin, A.E, Lambert, L, Liddington, R.C, Cosford, N.
登録日2021-04-15
公開日2022-04-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Thioesterase Domain of Human Fatty Acid Synthase (FASN-TE) binding a competitive inhibitor SBP-7635
To Be Published
6KVG
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BU of 6kvg by Molmil
The solution structure of human Orc6
分子名称: Origin recognition complex subunit 6
著者Liu, C, Xu, N, You, Y, Zhu, G.
登録日2019-09-04
公開日2020-09-09
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural basis of DNA replication origin recognition by human Orc6 protein binding with DNA.
Nucleic Acids Res., 48, 2020
7MHD
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BU of 7mhd by Molmil
Thioesterase Domain of Human Fatty Acid Synthase (FASN-TE) binding a competitive inhibitor SBP-7635
分子名称: Fatty acid synthase, N,N-diethyl-4-{2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl}benzene-1-sulfonamide
著者Aleshin, A.E, Lambert, L, Liddington, R.C, Cosford, N.
登録日2021-04-15
公開日2022-04-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Thioesterase Domain of Human Fatty Acid Synthase (FASN-TE) binding a competitive inhibitor SBP-7635
To Be Published
7MHS
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BU of 7mhs by Molmil
Structure of p97 (subunits A to E) with substrate engaged
分子名称: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ...
著者Xu, Y, Han, H, Cooney, I, Hill, C.P, Shen, P.S.
登録日2021-04-15
公開日2022-05-11
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Active conformation of the p97-p47 unfoldase complex.
Nat Commun, 13, 2022
7MR5
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BU of 7mr5 by Molmil
Crystal structure of the first bromodomain (BD1) of human BRD4 bound to GXH-II-052
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N,N'-{oxybis[(ethane-2,1-diyl)oxy(1-oxoethane-2,1-diyl)piperidine-1,4-diyl]}bis{4-[(4-{4-chloro-3-[(2-methylpropane-2-sulfonyl)amino]anilino}-5-methylpyrimidin-2-yl)amino]-2-fluorobenzamide}
著者Chan, A, Schonbrunn, E.
登録日2021-05-07
公開日2022-05-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Bivalent BET Bromodomain Inhibitors Confer Increased Potency and Selectivity for BRDT via Protein Conformational Plasticity.
J.Med.Chem., 65, 2022
7MR7
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BU of 7mr7 by Molmil
Crystal structure of the first bromodomain (BD1) of human BRD4 bound to GXH-II-075
分子名称: 1,2-ETHANEDIOL, 4-[(4-{4-chloro-3-[(2-methylpropane-2-sulfonyl)amino]anilino}-5-methylpyrimidin-2-yl)amino]-2-fluoro-N-[1-(14-{3-[(2-{3-fluoro-4-[(piperidin-4-yl)carbamoyl]anilino}-5-methylpyrimidin-4-yl)amino]-5-[(2-methylpropane-2-sulfonyl)amino]phenyl}-14-oxo-4,7,10-trioxa-13-azatetradecanan-1-oyl)piperidin-4-yl]benzamide, Bromodomain-containing protein 4
著者Chan, A, Schonbrunn, E.
登録日2021-05-07
公開日2022-05-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Bivalent BET Bromodomain Inhibitors Confer Increased Potency and Selectivity for BRDT via Protein Conformational Plasticity.
J.Med.Chem., 65, 2022
7MR8
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BU of 7mr8 by Molmil
Crystal structure of the first bromodomain (BD1) of human BRD4 bound to GXH-II-076
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N-{3-[(2-{3-fluoro-4-[(piperidin-4-yl)carbamoyl]anilino}-5-methylpyrimidin-4-yl)amino]-5-[(2-methylpropane-2-sulfonyl)amino]benzoyl}-L-glutamic acid
著者Chan, A, Schonbrunn, E.
登録日2021-05-07
公開日2022-05-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Crystal structure of the first bromodomain (BD1) of human BRD4 bound to GXH-II-076
To Be Published
7MR6
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BU of 7mr6 by Molmil
Crystal structure of the first bromodomain (BD1) of human BRD4 bound to GXH-II-082
分子名称: Bromodomain-containing protein 4, N,N'-[(1,16-dioxo-4,7,10,13-tetraoxahexadecane-1,16-diyl)di(piperidine-1,4-diyl)]bis{4-[(4-{4-chloro-3-[(2-methylpropane-2-sulfonyl)amino]anilino}-5-methylpyrimidin-2-yl)amino]-2-fluorobenzamide}
著者Chan, A, Schonbrunn, E.
登録日2021-05-07
公開日2022-05-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Bivalent BET Bromodomain Inhibitors Confer Increased Potency and Selectivity for BRDT via Protein Conformational Plasticity.
J.Med.Chem., 65, 2022
7MO1
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BU of 7mo1 by Molmil
Crystal Structure of the ZnF1 of Nucleoporin NUP153 in complex with Ran-GDP
分子名称: GTP-binding nuclear protein Ran, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A.
登録日2021-05-01
公開日2022-06-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Architecture of the cytoplasmic face of the nuclear pore.
Science, 376, 2022
7MNW
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BU of 7mnw by Molmil
Crystal Structure of Nup358/RanBP2 Ran-binding domain 1 in complex with Ran-GPPNHP
分子名称: E3 SUMO-protein ligase RanBP2, GTP-binding nuclear protein Ran, MAGNESIUM ION, ...
著者Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A.
登録日2021-05-01
公開日2022-06-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Architecture of the cytoplasmic face of the nuclear pore.
Science, 376, 2022
7MNZ
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BU of 7mnz by Molmil
Crystal Structure of Nup358/RanBP2 Ran-binding domain 4 in complex with Ran-GPPNHP
分子名称: E3 SUMO-protein ligase RanBP2, GTP-binding nuclear protein Ran, MAGNESIUM ION, ...
著者Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A.
登録日2021-05-01
公開日2022-06-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Architecture of the cytoplasmic face of the nuclear pore.
Science, 376, 2022
7MO0
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BU of 7mo0 by Molmil
Crystal Structure of Nucleoporin NUP50 Ran-Binding Domain in Complex with Ran-GPPNHP
分子名称: GTP-binding nuclear protein Ran, MAGNESIUM ION, Nuclear pore complex protein Nup50, ...
著者Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A.
登録日2021-05-01
公開日2022-06-15
最終更新日2022-06-22
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Architecture of the cytoplasmic face of the nuclear pore.
Science, 376, 2022
7MNR
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BU of 7mnr by Molmil
Crystal Structure of the ZnF3 of Nucleoporin NUP358/RanBP2 in complex with Ran-GDP
分子名称: E3 SUMO-protein ligase RanBP2, GTP-binding nuclear protein Ran, GUANOSINE-5'-DIPHOSPHATE, ...
著者Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A.
登録日2021-05-01
公開日2022-06-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Architecture of the cytoplasmic face of the nuclear pore.
Science, 376, 2022
7MNS
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BU of 7mns by Molmil
Crystal Structure of the ZnF4 of Nucleoporin NUP358/RanBP2 in complex with Ran-GDP
分子名称: E3 SUMO-protein ligase RanBP2, GTP-binding nuclear protein Ran, GUANOSINE-5'-DIPHOSPHATE, ...
著者Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A.
登録日2021-05-01
公開日2022-06-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Architecture of the cytoplasmic face of the nuclear pore.
Science, 376, 2022
7MNV
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BU of 7mnv by Molmil
Crystal Structure of the ZnF8 of Nucleoporin NUP358/RanBP2 in complex with Ran-GDP
分子名称: E3 SUMO-protein ligase RanBP2, GLYCEROL, GTP-binding nuclear protein Ran, ...
著者Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A.
登録日2021-05-01
公開日2022-06-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Architecture of the cytoplasmic face of the nuclear pore.
Science, 376, 2022

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